CID 131751958

(7e,7'r,8'r)-e-viniferin 3',5'-diglucoside

Structural Information

Molecular Formula
C40H42O16
SMILES
C1=CC(=CC=C1/C=C/C2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)O
InChI
InChI=1S/C40H42O16/c41-16-28-32(46)34(48)36(50)39(55-28)52-25-12-21(13-26(15-25)53-40-37(51)35(49)33(47)29(17-42)56-40)31-30-20(4-1-18-2-7-22(43)8-3-18)11-24(45)14-27(30)54-38(31)19-5-9-23(44)10-6-19/h1-15,28-29,31-51H,16-17H2/b4-1+
InChIKey
RPVPDEHWWUFGBW-DAFODLJHSA-N
Compound name
2-[3-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

778.2473 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 779.25458 266.8
[M+Na]+ 801.23652 273.4
[M-H]- 777.24002 265.6
[M+NH4]+ 796.28112 269.9
[M+K]+ 817.21046 271.7
[M+H-H2O]+ 761.24456 257.5
[M+HCOO]- 823.24550 271.0
[M+CH3COO]- 837.26115 274.2
[M+Na-2H]- 799.22197 288.1
[M]+ 778.24675 282.8
[M]- 778.24785 282.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.